3,5-bis(4-chlorophenyl)-2-N,2-N,4-N,4-N-tetramethylthiophene-2,4-diamine

C20H20Cl2N2S — CID 135027868

IUPAC3,5-bis(4-chlorophenyl)-2-N,2-N,4-N,4-N-tetramethylthiophene-2,4-diamine
SMILESCN(C)c1sc(-c2ccc(Cl)cc2)c(N(C)C)c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H20Cl2N2S/c1-23(2)18-17(13-5-9-15(21)10-6-13)20(24(3)4)25-19(18)14-7-11-16(22)12-8-14/h5-12H,1-4H3
InChIKeyFQBBYINOYVULND-UHFFFAOYSA-N
MW391.37 g/mol
LogP6.52
Rot. Bonds4

About 3,5-bis(4-chlorophenyl)-2-N,2-N,4-N,4-N-tetramethylthiophene-2,4-diamine

3,5-bis(4-chlorophenyl)-2-N,2-N,4-N,4-N-tetramethylthiophene-2,4-diamine (PubChem CID 135027868) has the molecular formula C20H20Cl2N2S and a molecular weight of 391.37 g/mol. Its IUPAC name is 3,5-bis(4-chlorophenyl)-2-N,2-N,4-N,4-N-tetramethylthiophene-2,4-diamine.

Molecular Properties

Compound Name3,5-bis(4-chlorophenyl)-2-N,2-N,4-N,4-N-tetramethylthiophene-2,4-diamine
PubChem CID135027868
Molecular FormulaC20H20Cl2N2S
Molecular Weight391.37 g/mol
Exact Mass390.07
IUPAC Name3,5-bis(4-chlorophenyl)-2-N,2-N,4-N,4-N-tetramethylthiophene-2,4-diamine
SMILESCN(C)c1sc(-c2ccc(Cl)cc2)c(N(C)C)c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H20Cl2N2S/c1-23(2)18-17(13-5-9-15(21)10-6-13)20(24(3)4)25-19(18)14-7-11-16(22)12-8-14/h5-12H,1-4H3
InChIKeyFQBBYINOYVULND-UHFFFAOYSA-N
XLogP6.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.37
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-tert-butyl-4,5-bis(4-chlorophenyl)thiophene-3-carbothioamide
CID 71658479
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CID 135027861
3-Dimethylamino-2-(4-chloro-phenyl)-benzo(b)thiophene
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2-(4-Chlorophenyl)-3-di-n-butylaminobenzo(b)-thiophene
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5-chloro-2-(4-chlorophenyl)-N,N-dimethyl-1-benzothiophen-3-amine
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2-(4-chlorophenyl)-N,N-diethyl-1-benzothiophen-3-amine
CID 21315901
4-[5-[(2-chloro-5-methylphenyl)methyl]thiophen-2-yl]-N,N-dimethylaniline
CID 58242621
3-[1-(4-chlorophenyl)ethenyl]-N,4,5-trimethylthiophen-2-amine
CID 123521631
4-(4-chlorophenyl)-2-(N-ethylanilino)thiophene-3-carbonitrile
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4-(2-chlorophenyl)-N-ethyl-3-isocyano-N-phenylthiophen-2-amine
CID 140781827
6-chloro-N,N-dimethyl-2-phenyl-1-benzothiophen-3-amine
CID 16639872
1-[2-[(4-Chlorophenyl)methyl]-5-(4-methylphenyl)thiophen-3-yl]piperidine
CID 23624619

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-chlorophenyl)-2-N,2-N,4-N,4-N-tetramethylthiophene-2,4-diamine?
The IUPAC name of 3,5-bis(4-chlorophenyl)-2-N,2-N,4-N,4-N-tetramethylthiophene-2,4-diamine (CID 135027868) is 3,5-bis(4-chlorophenyl)-2-N,2-N,4-N,4-N-tetramethylthiophene-2,4-diamine.
What is the SMILES notation for 3,5-bis(4-chlorophenyl)-2-N,2-N,4-N,4-N-tetramethylthiophene-2,4-diamine?
The canonical SMILES for 3,5-bis(4-chlorophenyl)-2-N,2-N,4-N,4-N-tetramethylthiophene-2,4-diamine is CN(C)c1sc(-c2ccc(Cl)cc2)c(N(C)C)c1-c1ccc(Cl)cc1.
What is the InChIKey of 3,5-bis(4-chlorophenyl)-2-N,2-N,4-N,4-N-tetramethylthiophene-2,4-diamine?
The InChIKey is FQBBYINOYVULND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2S/c1-23(2)18-17(13-5-9-15(21)10-6-13)20(24(3)4)25-19(18)14-7-11-16(22)12-8-14/h5-12H,1-4H3.
What are the key properties of 3,5-bis(4-chlorophenyl)-2-N,2-N,4-N,4-N-tetramethylthiophene-2,4-diamine?
3,5-bis(4-chlorophenyl)-2-N,2-N,4-N,4-N-tetramethylthiophene-2,4-diamine has a molecular weight of 391.37 g/mol, XLogP of 6.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-chlorophenyl)-2-N,2-N,4-N,4-N-tetramethylthiophene-2,4-diamine is sourced from PubChem (CID 135027868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).